1-Butyl-5-chloro-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937597-50-7
Catalog: |
BB048840 |
Product Name: |
1-Butyl-5-chloro-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937597-50-7 |
Synonyms: |
1-butyl-5-chloro-3,6-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1-butyl-5-chloro-3,6-dimethyl- |
IUPAC Name: | 1-butyl-5-chloro-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1-Butyl-5-chloro-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 937597-50-7 ) is a useful research chemical. |
Molecular Weight: | 281.74 |
Molecular Formula: | C13H16ClN3O2 |
Canonical SMILES: | CCCCN1C2=NC(=C(C(=C2C(=N1)C)C(=O)O)Cl)C |
InChI: | InChI=1S/C13H16ClN3O2/c1-4-5-6-17-12-9(7(2)16-17)10(13(18)19)11(14)8(3)15-12/h4-6H2,1-3H3,(H,18,19) |
InChI Key: | KPMGDVVEIQYFBJ-UHFFFAOYSA-N |
Boiling Point: | 410.8±40.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.0931045 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.0931045 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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